General Information of the Compound
| Compound ID |
CP0434531
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| Compound Name |
(2R,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-[3-[(4-ethylphenyl)methyl]-4-methylphenyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C22H28O5
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| Molecular Weight |
372.461
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| Canonical SMILES |
CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C22H28O5/c1-3-14-5-7-15(8-6-14)10-17-11-16(9-4-13(17)2)21-19(25)20(26)22(27-21)18(24)12-23/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20-,21+,22-/m1/s1
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| InChIKey |
MLHQBFISQGOVKQ-CSEOROSGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2